1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol

C17H22N2O — CID 175093459

IUPAC1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)C(N)(N)c1ccccc1C
InChIInChI=1S/C17H22N2O/c1-12-7-3-5-9-14(12)11-16(20)17(18,19)15-10-6-4-8-13(15)2/h3-10,16,20H,11,18-19H2,1-2H3
InChIKeyTUZDYGBESNUHKN-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.98
Rot. Bonds4

About 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol

1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol (PubChem CID 175093459) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol
PubChem CID175093459
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)C(N)(N)c1ccccc1C
InChIInChI=1S/C17H22N2O/c1-12-7-3-5-9-14(12)11-16(20)17(18,19)15-10-6-4-8-13(15)2/h3-10,16,20H,11,18-19H2,1-2H3
InChIKeyTUZDYGBESNUHKN-UHFFFAOYSA-N
XLogP1.98
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
CID 79062969
4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
CID 115817148
1,1-difluoro-3-(2-methylphenyl)propan-2-ol
CID 112699159
1,2-bis(2-methylphenyl)ethanol
CID 60798292
4-ethyl-1-(2-methylphenyl)hexan-2-ol
CID 82919839
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
CID 55137869
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 123657846

Frequently Asked Questions

What is the IUPAC name of 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol?
The IUPAC name of 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol (CID 175093459) is 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol?
The canonical SMILES for 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol is Cc1ccccc1CC(O)C(N)(N)c1ccccc1C.
What is the InChIKey of 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol?
The InChIKey is TUZDYGBESNUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-7-3-5-9-14(12)11-16(20)17(18,19)15-10-6-4-8-13(15)2/h3-10,16,20H,11,18-19H2,1-2H3.
What are the key properties of 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol?
1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol has a molecular weight of 270.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol is sourced from PubChem (CID 175093459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).